Re: [Pw_forum] how to calculation absorpation light in the quantum espresso

2017-05-24 Thread 신소재공학과
For optics, quasiparticle properties, … I can only highly recommend Yambo 
(www.yambo-code.org); I worked on several perovskite 
materials and it gives excellent results with reasonable calculation effort 
(hours~days).

An excellent place to look for information is: 
http://www.attaccalite.com/reasonable-parameters-for-yambo-calculations/ (and 
of course the forums of yambo). Yambo comes with recent versions of QE and you 
can build it with make yambo. Was mostly painless except for some problems 
related to libxc

Best luck!

Chris
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[Pw_forum] how to calculation absorpation light in the quantum espresso

2017-05-23 Thread ali mehdizadeh
Hello
I want to calculate absorpation light for perovskite. so how do not
apsorpation calculated in the quantum espresso package .if using tddft
 pakage or other package and how calculation.
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